Vitas-M small molecule compound
methyl 5-bromo-3-({[4-(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STK529427
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1nc3c(n1CC)c(=O)[nH]c(=O)n3C)cc(cc2)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H27BrN8O5 MW 587.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN8O5/c1-4-33-19-20(30(2)24(37)29-21(19)35)28-23(33)32-9-7-31(8-10-32)12-16(34)27-17-14-11-13(25)5-6-15(14)26-18(17)22(36)38-3/h5-6,11,26H,4,7-10,12H2,1-3H3,(H,27,34)(H,29,35,37)InChIKey
JFDPNTRTVLNNJR-UHFFFAOYSA-NSynonyms
CCN1C2=C(N=C1N3CCN(CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)Br)C(=O)OC)N(C(=O)NC2=O)C
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1nc3c(n1CC)c(=O)(nH)c(=O)n3C)cc(cc2)Br
InChI=1SC24H27BrN8O5c14331920(30(2)24(37)2921(19)35)2823(33)329731(81032)1216(34)2717141113(25)5615(14)2618(17)22(36)383h561126H471012H213H3(H2734)(H293537)
methyl5bromo3(((4(7ethyl3methyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL5BROMO3((2(4(7ETHYL3METHYL26DIOXOPURIN8YL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5bromo3(2(4(7ethyl3methyl26dioxo2367tetrahydro1Hpurin8yl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD01563434
ZINC000002613046
ZINC2613046
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.